2-Mercapto-3-isopropylbenzoic acid

HCID 10655507
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)c1cccc(C(=O)O)c1S
InChIKey
WIUYFRZMOAECIZ-UHFFFAOYSA-N
Molecular formula
C10H12O2S
Average molar mass
196.27 g/mol

Names & identifiers

Preferred name
2-Mercapto-3-isopropylbenzoic acid
IUPAC
3-propan-2-yl-2-sulfanylbenzoic acid

Names & synonyms

SCHEMBL6619925WIUYFRZMOAECIZ-UHFFFAOYSA-N2-mercapto-3-isopropylbenzoic acid3-isopropyl-2-sulfanylbenzoic acid3-propan-2-yl-2-sulfanylbenzoic acid

Database identifiers

PubChem CID
10655507

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
38.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Related reactions

2 records
New reaction record

Linked notes

Loading…